IUPAC name
O,O-dimethyl O-[2-(methylthio)ethyl] phosphorothioate
SMILES
COP(=S)(OC)OCCSC
Compound class
Insecticide
Therapeutic area
Insecticide
Common name
demephion-O
IUPAC name
O,O-dimethyl O-[2-(methylthio)ethyl] phosphorothioate
SMILES
COP(=S)(OC)OCCSC
INCHI
InChI=1S/C5H13O3PS2/c1-6-9(10,7-2)8-4-5-11-3/h4-5H2,1-3H3
FORMULA
C5H13O3PS2
Common name
demephion-O
IUPAC name
O,O-dimethyl O-[2-(methylthio)ethyl] phosphorothioate
Molecular weight
216.259
clogP
2.190
clogS
-1.412
HBond Acceptor
4
HBond Donor
0
Total Polar Surface Area
94.89
Number of Rings
0
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00041 | ethanol |
|
CCO | 0.1474 |
| FDBF00052 | methylsulfanylmethane |
|
S(C)C | 0.0072 |
| FDBF00055 | methylsulfanylethane |
|
S(C)CC | 0.0089 |
| FDBF01768 | methoxyphosphinothious acid |
|
O(C)PS | 0.0155 |
| FDBF04842 | 2-methylsulfanylethanol |
|
OCCSC | 0.0007 |
| FDBF04916 | sulfanylphosphinous acid |
|
OPS | 0.0292 |
| FDBF04918 | ethoxyphosphinothious acid |
|
O(CC)PS | 0.0220 |
7 ,
1
